2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine

C11H20N4O — CID 80934673

IUPAC2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC(C)COC)n1
InChIInChI=1S/C11H20N4O/c1-4-10-14-9(12)5-11(15-10)13-6-8(2)7-16-3/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyHIGJXPDNQQYDMV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds6

About 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine

2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 80934673) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID80934673
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC(C)COC)n1
InChIInChI=1S/C11H20N4O/c1-4-10-14-9(12)5-11(15-10)13-6-8(2)7-16-3/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyHIGJXPDNQQYDMV-UHFFFAOYSA-N
XLogP1.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954546
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80933367
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
CID 137483617
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine (CID 80934673) is 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(NCC(C)COC)n1.
What is the InChIKey of 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is HIGJXPDNQQYDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10-14-9(12)5-11(15-10)13-6-8(2)7-16-3/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine?
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).