N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H16N6O — CID 138019042

IUPACN-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCNc1cc(CNc2ncnc3onc(C)c23)ccn1
InChIInChI=1S/C14H16N6O/c1-3-15-11-6-10(4-5-16-11)7-17-13-12-9(2)20-21-14(12)19-8-18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyPHIDUEZVRXTVNU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 138019042) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID138019042
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCNc1cc(CNc2ncnc3onc(C)c23)ccn1
InChIInChI=1S/C14H16N6O/c1-3-15-11-6-10(4-5-16-11)7-17-13-12-9(2)20-21-14(12)19-8-18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyPHIDUEZVRXTVNU-UHFFFAOYSA-N
XLogP2.37
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
CID 115306338
4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
CID 100758402
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925691
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
CID 75387811
N'-benzyl-N'-ethyl-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 20924698
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72890067
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 138019042) is N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCNc1cc(CNc2ncnc3onc(C)c23)ccn1.
What is the InChIKey of N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PHIDUEZVRXTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-15-11-6-10(4-5-16-11)7-17-13-12-9(2)20-21-14(12)19-8-18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 138019042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).