4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine

C16H23N7 — CID 171704985

IUPAC4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(N2CCC(N(C)c3cc(N(C)C)ncn3)C2)nn1
InChIInChI=1S/C16H23N7/c1-12-5-6-14(20-19-12)23-8-7-13(10-23)22(4)16-9-15(21(2)3)17-11-18-16/h5-6,9,11,13H,7-8,10H2,1-4H3
InChIKeyLNPCZLFFKGIPRB-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.36
Rot. Bonds4

About 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine

4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 171704985) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
PubChem CID171704985
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(N2CCC(N(C)c3cc(N(C)C)ncn3)C2)nn1
InChIInChI=1S/C16H23N7/c1-12-5-6-14(20-19-12)23-8-7-13(10-23)22(4)16-9-15(21(2)3)17-11-18-16/h5-6,9,11,13H,7-8,10H2,1-4H3
InChIKeyLNPCZLFFKGIPRB-UHFFFAOYSA-N
XLogP1.36
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171997335
5-bromo-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]benzonitrile
CID 171997781
3-chloro-4-[3-[[6-(dimethylamino)pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]benzonitrile
CID 171997168
N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95599811
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 172882310
5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163345440
4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 171997086
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine (CID 171704985) is 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine is Cc1ccc(N2CCC(N(C)c3cc(N(C)C)ncn3)C2)nn1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is LNPCZLFFKGIPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-12-5-6-14(20-19-12)23-8-7-13(10-23)22(4)16-9-15(21(2)3)17-11-18-16/h5-6,9,11,13H,7-8,10H2,1-4H3.
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 313.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171704985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).