N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

C17H29N3O — CID 133472588

IUPACN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQTAQPMARURYJPJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.60
Rot. Bonds6

About N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133472588) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133472588
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQTAQPMARURYJPJ-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine
CID 133462480
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460793
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
CID 138053302
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133420627
2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 113283635
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133472422

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133472588) is N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1.
What is the InChIKey of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is QTAQPMARURYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133472588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).