4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine

C12H19N5 — CID 130324603

IUPAC4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NCC2CC2)cc(N2CCCC2)n1
InChIInChI=1S/C12H19N5/c13-12-15-10(14-8-9-3-4-9)7-11(16-12)17-5-1-2-6-17/h7,9H,1-6,8H2,(H3,13,14,15,16)
InChIKeyPMDKWIWWAXLYOA-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.48
Rot. Bonds4

About 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine

4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (PubChem CID 130324603) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
PubChem CID130324603
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NCC2CC2)cc(N2CCCC2)n1
InChIInChI=1S/C12H19N5/c13-12-15-10(14-8-9-3-4-9)7-11(16-12)17-5-1-2-6-17/h7,9H,1-6,8H2,(H3,13,14,15,16)
InChIKeyPMDKWIWWAXLYOA-UHFFFAOYSA-N
XLogP1.48
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 162341551
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
CID 50948345
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 78969897
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80847307
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (CID 130324603) is 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is Nc1nc(NCC2CC2)cc(N2CCCC2)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is PMDKWIWWAXLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-12-15-10(14-8-9-3-4-9)7-11(16-12)17-5-1-2-6-17/h7,9H,1-6,8H2,(H3,13,14,15,16).
What are the key properties of 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 130324603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).