2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine

C16H27N5O — CID 99613003

IUPAC2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine
SMILESC[C@@H](NCc1nccc(N)n1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27N5O/c1-13(19-12-15-18-7-4-14(17)20-15)16(5-2-3-6-16)21-8-10-22-11-9-21/h4,7,13,19H,2-3,5-6,8-12H2,1H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyKTKXAMXINOSBEB-CYBMUJFWSA-N
MW305.43 g/mol
LogP1.18
Rot. Bonds5

About 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine

2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine (PubChem CID 99613003) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine
PubChem CID99613003
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine
SMILESC[C@@H](NCc1nccc(N)n1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H27N5O/c1-13(19-12-15-18-7-4-14(17)20-15)16(5-2-3-6-16)21-8-10-22-11-9-21/h4,7,13,19H,2-3,5-6,8-12H2,1H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyKTKXAMXINOSBEB-CYBMUJFWSA-N
XLogP1.18
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine (CID 99613003) is 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine is C[C@@H](NCc1nccc(N)n1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine?
The InChIKey is KTKXAMXINOSBEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13(19-12-15-18-7-4-14(17)20-15)16(5-2-3-6-16)21-8-10-22-11-9-21/h4,7,13,19H,2-3,5-6,8-12H2,1H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine?
2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 99613003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).