[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea

C16H21N5O — CID 97101931

IUPAC[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
SMILESCc1cccc2c(N3CCCC[C@@H]3CNC(N)=O)ncnc12
InChIInChI=1S/C16H21N5O/c1-11-5-4-7-13-14(11)19-10-20-15(13)21-8-3-2-6-12(21)9-18-16(17)22/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H3,17,18,22)/t12-/m1/s1
InChIKeyCQGKUJKGWAQTMG-GFCCVEGCSA-N
MW299.38 g/mol
LogP1.97
Rot. Bonds3

About [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea

[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea (PubChem CID 97101931) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
PubChem CID97101931
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
SMILESCc1cccc2c(N3CCCC[C@@H]3CNC(N)=O)ncnc12
InChIInChI=1S/C16H21N5O/c1-11-5-4-7-13-14(11)19-10-20-15(13)21-8-3-2-6-12(21)9-18-16(17)22/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H3,17,18,22)/t12-/m1/s1
InChIKeyCQGKUJKGWAQTMG-GFCCVEGCSA-N
XLogP1.97
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397040
[(2R)-1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-2-yl]methylurea
CID 97085354
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline
CID 100684175
N-methyl-1-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
CID 102686844
N-cyclopropyl-5-[(2S)-1-(8-methylquinazolin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337947
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 99848801
(3aS,6aR)-2-(8-methylquinazolin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063260

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea (CID 97101931) is [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea is Cc1cccc2c(N3CCCC[C@@H]3CNC(N)=O)ncnc12.
What is the InChIKey of [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea?
The InChIKey is CQGKUJKGWAQTMG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-5-4-7-13-14(11)19-10-20-15(13)21-8-3-2-6-12(21)9-18-16(17)22/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H3,17,18,22)/t12-/m1/s1.
What are the key properties of [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea?
[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea has a molecular weight of 299.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea is sourced from PubChem (CID 97101931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).