N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide

C14H18N6O2 — CID 110257983

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CN(c2cncnc2)CCO1
InChIInChI=1S/C14H18N6O2/c1-19-3-2-17-13(19)8-18-14(21)12-9-20(4-5-22-12)11-6-15-10-16-7-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,21)
InChIKeySPTCHRCTWMWGOK-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.27
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide (PubChem CID 110257983) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide
PubChem CID110257983
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CN(c2cncnc2)CCO1
InChIInChI=1S/C14H18N6O2/c1-19-3-2-17-13(19)8-18-14(21)12-9-20(4-5-22-12)11-6-15-10-16-7-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,21)
InChIKeySPTCHRCTWMWGOK-UHFFFAOYSA-N
XLogP-0.27
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 95826619
4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 127244733
morpholin-4-yl-[(2R)-4-pyrimidin-5-ylmorpholin-2-yl]methanone
CID 95841040
N-[(1-methylimidazol-2-yl)methyl]-4-[(2R)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126440224
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
N-methyl-4-pyrazin-2-ylmorpholine-2-carboxamide
CID 110268192

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide (CID 110257983) is N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide is Cn1ccnc1CNC(=O)C1CN(c2cncnc2)CCO1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The InChIKey is SPTCHRCTWMWGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19-3-2-17-13(19)8-18-14(21)12-9-20(4-5-22-12)11-6-15-10-16-7-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide is sourced from PubChem (CID 110257983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).