2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

C14H18N4O3 — CID 119061530

IUPAC2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccno2)cc(C2CCOC2)n1
InChIInChI=1S/C14H18N4O3/c1-19-9-14-17-12(10-3-5-20-8-10)6-13(18-14)15-7-11-2-4-16-21-11/h2,4,6,10H,3,5,7-9H2,1H3,(H,15,17,18)
InChIKeyBQRFRLDONFCHPF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.73
Rot. Bonds6

About 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 119061530) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID119061530
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccno2)cc(C2CCOC2)n1
InChIInChI=1S/C14H18N4O3/c1-19-9-14-17-12(10-3-5-20-8-10)6-13(18-14)15-7-11-2-4-16-21-11/h2,4,6,10H,3,5,7-9H2,1H3,(H,15,17,18)
InChIKeyBQRFRLDONFCHPF-UHFFFAOYSA-N
XLogP1.73
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118787512
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126450398
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126447830
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (CID 119061530) is 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is COCc1nc(NCc2ccno2)cc(C2CCOC2)n1.
What is the InChIKey of 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is BQRFRLDONFCHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-19-9-14-17-12(10-3-5-20-8-10)6-13(18-14)15-7-11-2-4-16-21-11/h2,4,6,10H,3,5,7-9H2,1H3,(H,15,17,18).
What are the key properties of 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 290.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 119061530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).