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

C13H24N6 — CID 150863150

IUPAC4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C3CCC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-16-10-5-6-19(8-10)11-7-13(15,9-3-2-4-9)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t10-,13?/m1/s1
InChIKeyKSMFAHXKAFSXOS-VUUHIHSGSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds3

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

4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150863150) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150863150
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C3CCC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-16-10-5-6-19(8-10)11-7-13(15,9-3-2-4-9)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t10-,13?/m1/s1
InChIKeyKSMFAHXKAFSXOS-VUUHIHSGSA-N
XLogP-0.51
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150863150) is 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=CC(N)(C3CCC3)N=C(N)N2)C1.
What is the InChIKey of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is KSMFAHXKAFSXOS-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H24N6/c1-16-10-5-6-19(8-10)11-7-13(15,9-3-2-4-9)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-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-cyclobutyl-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, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150863150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).