N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine

C13H22N4O — CID 114170114

IUPACN-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2(CN)CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-10(2)11-7-12(16-9-15-11)17-13(8-14)3-5-18-6-4-13/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyWXJSJSGMRLPMSW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine

N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 114170114) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID114170114
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC2(CN)CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-10(2)11-7-12(16-9-15-11)17-13(8-14)3-5-18-6-4-13/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyWXJSJSGMRLPMSW-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine (CID 114170114) is N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NC2(CN)CCOCC2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WXJSJSGMRLPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)11-7-12(16-9-15-11)17-13(8-14)3-5-18-6-4-13/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine?
N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114170114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).