N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine

C14H22N4O — CID 50954016

IUPACN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCC1=NOC(CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyXAEBIHHLNLWTPE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.88
Rot. Bonds5

About N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 50954016) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID50954016
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCC1=NOC(CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyXAEBIHHLNLWTPE-UHFFFAOYSA-N
XLogP2.88
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
CID 24994636
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832
N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine
CID 56722629
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771
6-isopropyl-N~4~-{[1-(methoxymethyl)cyclopropyl]methyl}pyrimidine-2,4-diamine
CID 72915884
N-[3-(Cyclopentyloxy)propyl]-6-ethylpyrimidin-4-amine
CID 72941041
2-[Ethyl-[2-(octylamino)-6-propyl-pyrimidin-4-yl]amino]ethanol
CID 5276784
2-[[6-Tert-butyl-2-(octylamino)pyrimidin-4-yl]-ethyl-amino]ethanol
CID 5276812
N-(2-Isopropoxyethyl)-1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-amine
CID 72854593

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine (CID 50954016) is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine is CCC1=NOC(CNc2cc(C(C)C)nc(C)n2)C1.
What is the InChIKey of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XAEBIHHLNLWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50954016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).