6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine

C16H22N6O — CID 56705625

IUPAC6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESNCc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1
InChIInChI=1S/C16H22N6O/c17-10-13-9-16(21-12-20-13)19-11-15(14-3-1-2-4-18-14)22-5-7-23-8-6-22/h1-4,9,12,15H,5-8,10-11,17H2,(H,19,20,21)
InChIKeyCGPTUJBJWWHPAX-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.82
Rot. Bonds6

About 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine

6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 56705625) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID56705625
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESNCc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1
InChIInChI=1S/C16H22N6O/c17-10-13-9-16(21-12-20-13)19-11-15(14-3-1-2-4-18-14)22-5-7-23-8-6-22/h1-4,9,12,15H,5-8,10-11,17H2,(H,19,20,21)
InChIKeyCGPTUJBJWWHPAX-UHFFFAOYSA-N
XLogP0.82
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine (CID 56705625) is 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine is NCc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1.
What is the InChIKey of 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is CGPTUJBJWWHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c17-10-13-9-16(21-12-20-13)19-11-15(14-3-1-2-4-18-14)22-5-7-23-8-6-22/h1-4,9,12,15H,5-8,10-11,17H2,(H,19,20,21).
What are the key properties of 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 56705625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).