N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide

C18H24N6O — CID 133433586

IUPACN-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1nc(Nc2cccc(NC(=O)C3CC3)c2)nc(N(C)C)n1
InChIInChI=1S/C18H24N6O/c1-11(2)15-21-17(23-18(22-15)24(3)4)20-14-7-5-6-13(10-14)19-16(25)12-8-9-12/h5-7,10-12H,8-9H2,1-4H3,(H,19,25)(H,20,21,22,23)
InChIKeyXPKRIEJRENZENO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.15
Rot. Bonds6

About N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 133433586) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID133433586
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1nc(Nc2cccc(NC(=O)C3CC3)c2)nc(N(C)C)n1
InChIInChI=1S/C18H24N6O/c1-11(2)15-21-17(23-18(22-15)24(3)4)20-14-7-5-6-13(10-14)19-16(25)12-8-9-12/h5-7,10-12H,8-9H2,1-4H3,(H,19,25)(H,20,21,22,23)
InChIKeyXPKRIEJRENZENO-UHFFFAOYSA-N
XLogP3.15
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 28620650
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3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
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N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
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4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide (CID 133433586) is N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide is CC(C)c1nc(Nc2cccc(NC(=O)C3CC3)c2)nc(N(C)C)n1.
What is the InChIKey of N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is XPKRIEJRENZENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-11(2)15-21-17(23-18(22-15)24(3)4)20-14-7-5-6-13(10-14)19-16(25)12-8-9-12/h5-7,10-12H,8-9H2,1-4H3,(H,19,25)(H,20,21,22,23).
What are the key properties of N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 133433586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).