3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine

C12H14N4O — CID 116901807

IUPAC3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
SMILESc1cc(-c2cc[nH]c2)nc(C2COCCN2)n1
InChIInChI=1S/C12H14N4O/c1-3-13-7-9(1)10-2-4-15-12(16-10)11-8-17-6-5-14-11/h1-4,7,11,13-14H,5-6,8H2
InChIKeyMPMGBCMZSPFWQG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.13
Rot. Bonds2

About 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine

3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine (PubChem CID 116901807) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
PubChem CID116901807
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
SMILESc1cc(-c2cc[nH]c2)nc(C2COCCN2)n1
InChIInChI=1S/C12H14N4O/c1-3-13-7-9(1)10-2-4-15-12(16-10)11-8-17-6-5-14-11/h1-4,7,11,13-14H,5-6,8H2
InChIKeyMPMGBCMZSPFWQG-UHFFFAOYSA-N
XLogP1.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814
N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 97484647
2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
3-pyridin-2-ylmorpholine
CID 54247101
N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826082
(3R)-3-(4-chloro-2-pyridinyl)morpholine
CID 55274558
N-(morpholin-3-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116976011
3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
CID 96848893
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine (CID 116901807) is 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine is c1cc(-c2cc[nH]c2)nc(C2COCCN2)n1.
What is the InChIKey of 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine?
The InChIKey is MPMGBCMZSPFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-13-7-9(1)10-2-4-15-12(16-10)11-8-17-6-5-14-11/h1-4,7,11,13-14H,5-6,8H2.
What are the key properties of 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine?
3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine has a molecular weight of 230.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 116901807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).