5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C13H18N6O — CID 142576029

IUPAC5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(CN)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H18N6O/c1-7(2)9-5-17-8(4-14)3-10(9)20-11-6-18-13(16)19-12(11)15/h3,5-7H,4,14H2,1-2H3,(H4,15,16,18,19)
InChIKeyKHKXFAJFCUEAGK-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.41
Rot. Bonds4

About 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 142576029) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID142576029
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(CN)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C13H18N6O/c1-7(2)9-5-17-8(4-14)3-10(9)20-11-6-18-13(16)19-12(11)15/h3,5-7H,4,14H2,1-2H3,(H4,15,16,18,19)
InChIKeyKHKXFAJFCUEAGK-UHFFFAOYSA-N
XLogP1.41
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]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 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 142576029) is 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(CN)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is KHKXFAJFCUEAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-7(2)9-5-17-8(4-14)3-10(9)20-11-6-18-13(16)19-12(11)15/h3,5-7H,4,14H2,1-2H3,(H4,15,16,18,19).
What are the key properties of 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).