4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine

C10H19N5 — CID 80802747

IUPAC4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine
SMILESCCC(Nc1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C10H19N5/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H5,11,12,13,14,15)
InChIKeyRPSBCLAWGGXKSN-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.49
Rot. Bonds4

About 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine

4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine (PubChem CID 80802747) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine
PubChem CID80802747
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine
SMILESCCC(Nc1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C10H19N5/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H5,11,12,13,14,15)
InChIKeyRPSBCLAWGGXKSN-UHFFFAOYSA-N
XLogP1.49
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
4-N-(3-methylpentan-2-yl)pyrimidine-2,4,6-triamine
CID 80804259
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine (CID 80802747) is 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine is CCC(Nc1cc(N)nc(N)n1)C(C)C.
What is the InChIKey of 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine?
The InChIKey is RPSBCLAWGGXKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-4-7(6(2)3)13-9-5-8(11)14-10(12)15-9/h5-7H,4H2,1-3H3,(H5,11,12,13,14,15).
What are the key properties of 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine?
4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine has a molecular weight of 209.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80802747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).