1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine

C19H25N5 — CID 129400686

IUPAC1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@H]1CCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C19H25N5/c1-23(12-15-3-2-8-20-11-15)13-16-7-10-24(14-16)18-6-9-21-19(22-18)17-4-5-17/h2-3,6,8-9,11,16-17H,4-5,7,10,12-14H2,1H3/t16-/m1/s1
InChIKeyOBVCXHDMCYGTMB-MRXNPFEDSA-N
MW323.44 g/mol
LogP2.71
Rot. Bonds6

About 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine

1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 129400686) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
PubChem CID129400686
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@H]1CCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C19H25N5/c1-23(12-15-3-2-8-20-11-15)13-16-7-10-24(14-16)18-6-9-21-19(22-18)17-4-5-17/h2-3,6,8-9,11,16-17H,4-5,7,10,12-14H2,1H3/t16-/m1/s1
InChIKeyOBVCXHDMCYGTMB-MRXNPFEDSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129336018
3-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129400687
1-[(3S)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400681
1-[(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400680
1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine
CID 129337812
1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129000168
1-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400683
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine (CID 129400686) is 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine is CN(Cc1cccnc1)C[C@H]1CCN(c2ccnc(C3CC3)n2)C1.
What is the InChIKey of 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is OBVCXHDMCYGTMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5/c1-23(12-15-3-2-8-20-11-15)13-16-7-10-24(14-16)18-6-9-21-19(22-18)17-4-5-17/h2-3,6,8-9,11,16-17H,4-5,7,10,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 323.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 129400686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).