4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

C13H24N6 — CID 143492542

IUPAC4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-16-10-4-5-19(8-10)11-7-13(15,6-9-2-3-9)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t10-,13?/m1/s1
InChIKeyMJPMYAKREPTQGI-VUUHIHSGSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds4

About 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492542) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492542
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-16-10-4-5-19(8-10)11-7-13(15,6-9-2-3-9)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t10-,13?/m1/s1
InChIKeyMJPMYAKREPTQGI-VUUHIHSGSA-N
XLogP-0.51
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492542) is 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=CC(N)(CC3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is MJPMYAKREPTQGI-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H24N6/c1-16-10-4-5-19(8-10)11-7-13(15,6-9-2-3-9)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t10-,13?/m1/s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).