6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

C10H17N5O — CID 22542939

IUPAC6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NCC2CCCO2)c1N
InChIInChI=1S/C10H17N5O/c1-12-9-8(11)10(15-6-14-9)13-5-7-3-2-4-16-7/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyRRIWJPBCGALLBP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds4

About 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542939) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542939
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NCC2CCCO2)c1N
InChIInChI=1S/C10H17N5O/c1-12-9-8(11)10(15-6-14-9)13-5-7-3-2-4-16-7/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyRRIWJPBCGALLBP-UHFFFAOYSA-N
XLogP0.69
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(3-methoxypropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542993
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542972
6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 22543107
6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542915
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542939) is 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine is CNc1ncnc(NCC2CCCO2)c1N.
What is the InChIKey of 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is RRIWJPBCGALLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-12-9-8(11)10(15-6-14-9)13-5-7-3-2-4-16-7/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 223.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).