4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine

C16H21N5 — CID 130559123

IUPAC4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-18-15(17)9-16(19-12)20-14-7-8-21(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H3,17,18,19,20)
InChIKeyDLAFKWVOBXJQGP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.05
Rot. Bonds4

About 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine

4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine (PubChem CID 130559123) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
PubChem CID130559123
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-18-15(17)9-16(19-12)20-14-7-8-21(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H3,17,18,19,20)
InChIKeyDLAFKWVOBXJQGP-UHFFFAOYSA-N
XLogP2.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine (CID 130559123) is 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is DLAFKWVOBXJQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-18-15(17)9-16(19-12)20-14-7-8-21(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine?
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 130559123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).