1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C25H29N5O — CID 73294946

IUPAC1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1cnc(Nc2ccc(C(C)N)cc2)nc1CCc1ccccc1C1(C(N)=O)CC1
InChIInChI=1S/C25H29N5O/c1-16-15-28-24(29-20-10-7-18(8-11-20)17(2)26)30-22(16)12-9-19-5-3-4-6-21(19)25(13-14-25)23(27)31/h3-8,10-11,15,17H,9,12-14,26H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyTVHISEZISKGSQX-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.85
Rot. Bonds8

About 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 73294946) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID73294946
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1cnc(Nc2ccc(C(C)N)cc2)nc1CCc1ccccc1C1(C(N)=O)CC1
InChIInChI=1S/C25H29N5O/c1-16-15-28-24(29-20-10-7-18(8-11-20)17(2)26)30-22(16)12-9-19-5-3-4-6-21(19)25(13-14-25)23(27)31/h3-8,10-11,15,17H,9,12-14,26H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyTVHISEZISKGSQX-UHFFFAOYSA-N
XLogP3.85
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Jnk-IN-9
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CID 71741428
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
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N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide;hydrochloride
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N-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide;hydrochloride
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N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
CID 839083
Cyclohexanecarboxylic acid [3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide
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CID 11473009
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one
CID 11618313
N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 73294946) is 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is Cc1cnc(Nc2ccc(C(C)N)cc2)nc1CCc1ccccc1C1(C(N)=O)CC1.
What is the InChIKey of 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is TVHISEZISKGSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-15-28-24(29-20-10-7-18(8-11-20)17(2)26)30-22(16)12-9-19-5-3-4-6-21(19)25(13-14-25)23(27)31/h3-8,10-11,15,17H,9,12-14,26H2,1-2H3,(H2,27,31)(H,28,29,30).
What are the key properties of 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[4-(1-aminoethyl)anilino]-5-methylpyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 73294946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).