4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine

C8H14N4 — CID 135331790

IUPAC4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
SMILESCC1CC1C1(N)C=CNC(N)=N1
InChIInChI=1S/C8H14N4/c1-5-4-6(5)8(10)2-3-11-7(9)12-8/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12)
InChIKeyRDHKRCCRMJNGLF-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.27
Rot. Bonds1

About 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine

4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 135331790) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
PubChem CID135331790
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
SMILESCC1CC1C1(N)C=CNC(N)=N1
InChIInChI=1S/C8H14N4/c1-5-4-6(5)8(10)2-3-11-7(9)12-8/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12)
InChIKeyRDHKRCCRMJNGLF-UHFFFAOYSA-N
XLogP-0.27
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine (CID 135331790) is 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine is CC1CC1C1(N)C=CNC(N)=N1.
What is the InChIKey of 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is RDHKRCCRMJNGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-4-6(5)8(10)2-3-11-7(9)12-8/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12).
What are the key properties of 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine?
4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 166.23 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 135331790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).