2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

C16H26N4O — CID 80984091

IUPAC2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC2CCCOC2)c1C
InChIInChI=1S/C16H26N4O/c1-3-17-14-11(2)15(20-16(19-14)13-6-7-13)18-9-12-5-4-8-21-10-12/h12-13H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyKNTAWOIJHXZCRQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80984091) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80984091
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC2CCCOC2)c1C
InChIInChI=1S/C16H26N4O/c1-3-17-14-11(2)15(20-16(19-14)13-6-7-13)18-9-12-5-4-8-21-10-12/h12-13H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyKNTAWOIJHXZCRQ-UHFFFAOYSA-N
XLogP2.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80982978
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991756
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80985429
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 80984091) is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(NCC2CCCOC2)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KNTAWOIJHXZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-14-11(2)15(20-16(19-14)13-6-7-13)18-9-12-5-4-8-21-10-12/h12-13H,3-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80984091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).