[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea

C12H21N7O2 — CID 110178402

IUPAC[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea
SMILESCC(C)Nc1nc(CNC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-8(2)15-11-16-9(7-14-10(13)20)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H3,13,14,20)(H,15,16,17,18)
InChIKeyQNLIQIZLQNPNEW-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.30
Rot. Bonds5

About [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea

[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea (PubChem CID 110178402) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea.

Molecular Properties

Compound Name[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea
PubChem CID110178402
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea
SMILESCC(C)Nc1nc(CNC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-8(2)15-11-16-9(7-14-10(13)20)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H3,13,14,20)(H,15,16,17,18)
InChIKeyQNLIQIZLQNPNEW-UHFFFAOYSA-N
XLogP-0.30
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 6488389
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 3080135
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 3080163
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709

Frequently Asked Questions

What is the IUPAC name of [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea?
The IUPAC name of [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea (CID 110178402) is [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea.
What is the SMILES notation for [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea?
The canonical SMILES for [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea is CC(C)Nc1nc(CNC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea?
The InChIKey is QNLIQIZLQNPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-8(2)15-11-16-9(7-14-10(13)20)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H3,13,14,20)(H,15,16,17,18).
What are the key properties of [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea?
[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea has a molecular weight of 295.35 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea is sourced from PubChem (CID 110178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).