N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

C13H17N5O — CID 116976020

IUPACN-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(NCC3CNCCO3)nc2)c[nH]1
InChIInChI=1S/C13H17N5O/c1-2-14-5-10(1)11-6-16-13(17-7-11)18-9-12-8-15-3-4-19-12/h1-2,5-7,12,14-15H,3-4,8-9H2,(H,16,17,18)
InChIKeyHXJSVWZAJPZLEL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.87
Rot. Bonds4

About N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (PubChem CID 116976020) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
PubChem CID116976020
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(NCC3CNCCO3)nc2)c[nH]1
InChIInChI=1S/C13H17N5O/c1-2-14-5-10(1)11-6-16-13(17-7-11)18-9-12-8-15-3-4-19-12/h1-2,5-7,12,14-15H,3-4,8-9H2,(H,16,17,18)
InChIKeyHXJSVWZAJPZLEL-UHFFFAOYSA-N
XLogP0.87
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(morpholin-3-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116976011
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
4-N-ethyl-2-N-[[(2R)-morpholin-2-yl]methyl]pyrimidine-2,4-diamine
CID 95131628
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154889452
1-methyl-N-(morpholin-2-ylmethyl)imidazol-2-amine
CID 115324160
5-iodo-4-(morpholin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136979027
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
N-methyl-N'-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974450
5-cyclobutyl-N-(2-morpholin-2-ylethyl)pyrimidin-2-amine
CID 116976004
[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 116976129
3-bromo-5-chloro-N-(morpholin-2-ylmethyl)pyridin-2-amine
CID 114836384

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (CID 116976020) is N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is c1cc(-c2cnc(NCC3CNCCO3)nc2)c[nH]1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The InChIKey is HXJSVWZAJPZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-14-5-10(1)11-6-16-13(17-7-11)18-9-12-8-15-3-4-19-12/h1-2,5-7,12,14-15H,3-4,8-9H2,(H,16,17,18).
What are the key properties of N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 116976020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).