4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine

C19H25N7O — CID 143753859

IUPAC4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cn(C(C)C)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C19H25N7O/c1-5-7-21-19-22-8-6-15(24-19)14-11-26(12(2)3)25-17(14)13-9-16(27-4)18(20)23-10-13/h6,8-12H,5,7H2,1-4H3,(H2,20,23)(H,21,22,24)
InChIKeyUFQDVQVLGBBTIJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.40
Rot. Bonds7

About 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine

4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine (PubChem CID 143753859) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
PubChem CID143753859
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cn(C(C)C)nc2-c2cnc(N)c(OC)c2)n1
InChIInChI=1S/C19H25N7O/c1-5-7-21-19-22-8-6-15(24-19)14-11-26(12(2)3)25-17(14)13-9-16(27-4)18(20)23-10-13/h6,8-12H,5,7H2,1-4H3,(H2,20,23)(H,21,22,24)
InChIKeyUFQDVQVLGBBTIJ-UHFFFAOYSA-N
XLogP3.40
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine with MolForge

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Related Compounds

(2S)-1-[[4-[3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 25181608
N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
CID 143864617
N-[5-chloro-2-fluoro-3-[1-propan-2-yl-4-[2-(propylamino)pyrimidin-4-yl]pyrazol-3-yl]phenyl]methanesulfonamide
CID 167214642
(2S)-1-[[4-[3-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 160791403
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
[(2S)-1-[[4-[3-[3-chloro-5-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-methylcarbamic acid
CID 90169616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine (CID 143753859) is 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2cn(C(C)C)nc2-c2cnc(N)c(OC)c2)n1.
What is the InChIKey of 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine?
The InChIKey is UFQDVQVLGBBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-5-7-21-19-22-8-6-15(24-19)14-11-26(12(2)3)25-17(14)13-9-16(27-4)18(20)23-10-13/h6,8-12H,5,7H2,1-4H3,(H2,20,23)(H,21,22,24).
What are the key properties of 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine?
4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine has a molecular weight of 367.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 143753859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).