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

C17H31N5O — CID 22542972

IUPAC4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(NCC2CCCO2)c1N
InChIInChI=1S/C17H31N5O/c1-12(2)9-22(10-13(3)4)17-15(18)16(20-11-21-17)19-8-14-6-5-7-23-14/h11-14H,5-10,18H2,1-4H3,(H,19,20,21)
InChIKeyGWHWBXXCRBLRGN-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.77
Rot. Bonds8

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

4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542972) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542972
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(NCC2CCCO2)c1N
InChIInChI=1S/C17H31N5O/c1-12(2)9-22(10-13(3)4)17-15(18)16(20-11-21-17)19-8-14-6-5-7-23-14/h11-14H,5-10,18H2,1-4H3,(H,19,20,21)
InChIKeyGWHWBXXCRBLRGN-UHFFFAOYSA-N
XLogP2.77
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
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
6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
6-N-(3-methylbutyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481612
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542972) is 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(NCC2CCCO2)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is GWHWBXXCRBLRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-12(2)9-22(10-13(3)4)17-15(18)16(20-11-21-17)19-8-14-6-5-7-23-14/h11-14H,5-10,18H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine?
4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 321.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).