N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C14H17N5O — CID 138383237

IUPACN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2ncnc3cc[nH]c23)on1
InChIInChI=1S/C14H17N5O/c1-9(2)5-10-6-11(20-19-10)7-16-14-13-12(3-4-15-13)17-8-18-14/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyJNRCNZSUQHFXRC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds5

About N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 138383237) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID138383237
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2ncnc3cc[nH]c23)on1
InChIInChI=1S/C14H17N5O/c1-9(2)5-10-6-11(20-19-10)7-16-14-13-12(3-4-15-13)17-8-18-14/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyJNRCNZSUQHFXRC-UHFFFAOYSA-N
XLogP2.76
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
CID 134713419
4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 50959013
6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903401
5-[(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyrazole-3-carboxylic acid
CID 166317079
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138382185
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
N-benzyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 159372491
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138384882
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine
CID 72897962
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
CID 114420316
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792368

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 138383237) is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is CC(C)Cc1cc(CNc2ncnc3cc[nH]c23)on1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is JNRCNZSUQHFXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)5-10-6-11(20-19-10)7-16-14-13-12(3-4-15-13)17-8-18-14/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138383237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).