3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide

C18H21N7O — CID 68621998

IUPAC3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
SMILESCn1ncc2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cc21
InChIInChI=1S/C18H21N7O/c1-25-15-8-13(5-4-12(15)9-22-25)23-18-21-10-14(11-2-3-11)17(24-18)20-7-6-16(19)26/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,26)(H2,20,21,23,24)
InChIKeyCMNAXROCGNPVAJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.27
Rot. Bonds7

About 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide

3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide (PubChem CID 68621998) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
PubChem CID68621998
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
SMILESCn1ncc2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cc21
InChIInChI=1S/C18H21N7O/c1-25-15-8-13(5-4-12(15)9-22-25)23-18-21-10-14(11-2-3-11)17(24-18)20-7-6-16(19)26/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,26)(H2,20,21,23,24)
InChIKeyCMNAXROCGNPVAJ-UHFFFAOYSA-N
XLogP2.27
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
CID 68624563
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68624018
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843
3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68896966
3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]benzamide
CID 68623099
N-[3-[[5-cyclopropyl-2-[(1-hydroxy-2-methylisoindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 90713881
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014951
1,1-diethyl-3-[3-[[2-[(1-methylindazol-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]urea
CID 68602637
[3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68622905
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 68624379

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide (CID 68621998) is 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide is Cn1ncc2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cc21.
What is the InChIKey of 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide?
The InChIKey is CMNAXROCGNPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-25-15-8-13(5-4-12(15)9-22-25)23-18-21-10-14(11-2-3-11)17(24-18)20-7-6-16(19)26/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,26)(H2,20,21,23,24).
What are the key properties of 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).