N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine

C19H25N9O — CID 167979109

IUPACN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1Nc1ccc(-n2ccnc2C)nn1
InChIInChI=1S/C19H25N9O/c1-13-20-9-10-28(13)18-6-5-16(24-25-18)22-14-11-27(12-15(14)29-4)17-7-8-21-19(23-17)26(2)3/h5-10,14-15H,11-12H2,1-4H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyGTRXRFZPGAGFPK-LSDHHAIUSA-N
MW395.47 g/mol
LogP1.14
Rot. Bonds6

About N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine

N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine (PubChem CID 167979109) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine
PubChem CID167979109
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC NameN-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine
SMILESCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1Nc1ccc(-n2ccnc2C)nn1
InChIInChI=1S/C19H25N9O/c1-13-20-9-10-28(13)18-6-5-16(24-25-18)22-14-11-27(12-15(14)29-4)17-7-8-21-19(23-17)26(2)3/h5-10,14-15H,11-12H2,1-4H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyGTRXRFZPGAGFPK-LSDHHAIUSA-N
XLogP1.14
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-cyano-N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]acetamide
CID 146113441
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-2-(4-methyl-2-pyridinyl)acetamide
CID 154794170
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
CID 146113439
4-[(3S,4R)-3-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-4-methoxypyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 146112058
4-[(3S,4R)-3-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethylamino)-4-methoxypyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 154798422
4-[(3R,4S)-3-methoxy-4-[(4-methoxy-1H-indol-5-yl)methylamino]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 146112046
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
(3S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085574
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-2-(1-methylindol-2-yl)acetamide
CID 146113462

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine (CID 167979109) is N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine is CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1Nc1ccc(-n2ccnc2C)nn1.
What is the InChIKey of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine?
The InChIKey is GTRXRFZPGAGFPK-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H25N9O/c1-13-20-9-10-28(13)18-6-5-16(24-25-18)22-14-11-27(12-15(14)29-4)17-7-8-21-19(23-17)26(2)3/h5-10,14-15H,11-12H2,1-4H3,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine?
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine has a molecular weight of 395.47 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-6-(2-methylimidazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 167979109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).