[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine

C13H17N5O — CID 116976332

IUPAC[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1
InChIInChI=1S/C13H17N5O/c14-5-12-9-18(3-4-19-12)13-16-7-11(8-17-13)10-1-2-15-6-10/h1-2,6-8,12,15H,3-5,9,14H2
InChIKeyKPDSTTQHQBDDEK-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.64
Rot. Bonds3

About [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine

[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine (PubChem CID 116976332) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
PubChem CID116976332
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1
InChIInChI=1S/C13H17N5O/c14-5-12-9-18(3-4-19-12)13-16-7-11(8-17-13)10-1-2-15-6-10/h1-2,6-8,12,15H,3-5,9,14H2
InChIKeyKPDSTTQHQBDDEK-UHFFFAOYSA-N
XLogP0.64
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine (CID 116976332) is [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine is NCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1.
What is the InChIKey of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine?
The InChIKey is KPDSTTQHQBDDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-5-12-9-18(3-4-19-12)13-16-7-11(8-17-13)10-1-2-15-6-10/h1-2,6-8,12,15H,3-5,9,14H2.
What are the key properties of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine?
[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 116976332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).