6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

C11H19N5 — CID 80803944

IUPAC6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCN(C)C2)c1C
InChIInChI=1S/C11H19N5/c1-8-10(12-2)13-7-14-11(8)15-9-4-5-16(3)6-9/h7,9H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyJZXBWYRTTZJPEM-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.94
Rot. Bonds3

About 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (PubChem CID 80803944) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
PubChem CID80803944
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCN(C)C2)c1C
InChIInChI=1S/C11H19N5/c1-8-10(12-2)13-7-14-11(8)15-9-4-5-16(3)6-9/h7,9H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyJZXBWYRTTZJPEM-UHFFFAOYSA-N
XLogP0.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80803697
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114118400
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
6-N-methyl-8-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80804238

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (CID 80803944) is 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is CNc1ncnc(NC2CCN(C)C2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The InChIKey is JZXBWYRTTZJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-10(12-2)13-7-14-11(8)15-9-4-5-16(3)6-9/h7,9H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80803944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).