6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine

C15H24N6 — CID 68551084

IUPAC6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CC[C@@H]2C3)cc(N2CCC(N)C2)n1
InChIInChI=1S/C15H24N6/c16-11-3-4-21(8-11)14-7-13(19-15(17)20-14)18-12-6-9-1-2-10(12)5-9/h7,9-12H,1-6,8,16H2,(H3,17,18,19,20)/t9?,10-,11?,12?/m1/s1
InChIKeyATXBDDMIBRAFBR-HPDCSRJSSA-N
MW288.40 g/mol
LogP1.20
Rot. Bonds3

About 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine

6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine (PubChem CID 68551084) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
PubChem CID68551084
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CC[C@@H]2C3)cc(N2CCC(N)C2)n1
InChIInChI=1S/C15H24N6/c16-11-3-4-21(8-11)14-7-13(19-15(17)20-14)18-12-6-9-1-2-10(12)5-9/h7,9-12H,1-6,8,16H2,(H3,17,18,19,20)/t9?,10-,11?,12?/m1/s1
InChIKeyATXBDDMIBRAFBR-HPDCSRJSSA-N
XLogP1.20
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine (CID 68551084) is 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine is Nc1nc(NC2CC3CC[C@@H]2C3)cc(N2CCC(N)C2)n1.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The InChIKey is ATXBDDMIBRAFBR-HPDCSRJSSA-N. The full InChI is InChI=1S/C15H24N6/c16-11-3-4-21(8-11)14-7-13(19-15(17)20-14)18-12-6-9-1-2-10(12)5-9/h7,9-12H,1-6,8,16H2,(H3,17,18,19,20)/t9?,10-,11?,12?/m1/s1.
What are the key properties of 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68551084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).