4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide

C20H21N5O2 — CID 44561384

IUPAC4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1NCc1ccccc1
InChIInChI=1S/C20H21N5O2/c21-18(27)17-13-23-20(24-16-8-6-14(7-9-16)10-11-26)25-19(17)22-12-15-4-2-1-3-5-15/h1-9,13,26H,10-12H2,(H2,21,27)(H2,22,23,24,25)
InChIKeyJFBUVHYRIACKNM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.47
Rot. Bonds8

About 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide

4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 44561384) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
PubChem CID44561384
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1NCc1ccccc1
InChIInChI=1S/C20H21N5O2/c21-18(27)17-13-23-20(24-16-8-6-14(7-9-16)10-11-26)25-19(17)22-12-15-4-2-1-3-5-15/h1-9,13,26H,10-12H2,(H2,21,27)(H2,22,23,24,25)
InChIKeyJFBUVHYRIACKNM-UHFFFAOYSA-N
XLogP2.47
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
4-(benzylamino)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrimidine-5-carboxamide
CID 67388600
4-(benzylamino)-2-[3-(2,5-dihydropyrrole-1-carbonylamino)anilino]pyrimidine-5-carboxamide
CID 66841654
4-(benzylamino)-2-[4-[(2S)-2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014829
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-[(4-hydroxyphenyl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628243
4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide
CID 70832993
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906
4-[(4-fluorophenyl)methylamino]-2-[3-[(2-methoxyacetyl)amino]anilino]pyrimidine-5-carboxamide
CID 58098804
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 91053236
4-[[4-amino-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516849

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide (CID 44561384) is 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is JFBUVHYRIACKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-18(27)17-13-23-20(24-16-8-6-14(7-9-16)10-11-26)25-19(17)22-12-15-4-2-1-3-5-15/h1-9,13,26H,10-12H2,(H2,21,27)(H2,22,23,24,25).
What are the key properties of 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide?
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 44561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).