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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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).