N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine

C16H22N4 — CID 61242084

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC(C)c2ccc(CN)cc2)ncn1
InChIInChI=1S/C16H22N4/c1-11(2)15-8-16(19-10-18-15)20-12(3)14-6-4-13(9-17)5-7-14/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyXWKUSTGNNOFXCP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.23
Rot. Bonds5

About N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine

N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61242084) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61242084
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NC(C)c2ccc(CN)cc2)ncn1
InChIInChI=1S/C16H22N4/c1-11(2)15-8-16(19-10-18-15)20-12(3)14-6-4-13(9-17)5-7-14/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyXWKUSTGNNOFXCP-UHFFFAOYSA-N
XLogP3.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine (CID 61242084) is N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NC(C)c2ccc(CN)cc2)ncn1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XWKUSTGNNOFXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)15-8-16(19-10-18-15)20-12(3)14-6-4-13(9-17)5-7-14/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine?
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61242084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).