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

C19H25N7O — CID 68624018

IUPAC3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCCC3)nc2)ncc1C1CC1
InChIInChI=1S/C19H25N7O/c20-16(27)7-8-21-18-15(13-3-4-13)12-23-19(25-18)24-14-5-6-17(22-11-14)26-9-1-2-10-26/h5-6,11-13H,1-4,7-10H2,(H2,20,27)(H2,21,23,24,25)
InChIKeyVBUCKWZKQWJGKE-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.38
Rot. Bonds8

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

3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide (PubChem CID 68624018) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
PubChem CID68624018
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCCC3)nc2)ncc1C1CC1
InChIInChI=1S/C19H25N7O/c20-16(27)7-8-21-18-15(13-3-4-13)12-23-19(25-18)24-14-5-6-17(22-11-14)26-9-1-2-10-26/h5-6,11-13H,1-4,7-10H2,(H2,20,27)(H2,21,23,24,25)
InChIKeyVBUCKWZKQWJGKE-UHFFFAOYSA-N
XLogP2.38
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide with MolForge

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Related Compounds

3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
CID 68621998
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]phenyl]-pyrrolidin-1-ylmethanone
CID 68622905
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
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276
3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
CID 68758179
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 68624379
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide (CID 68624018) is 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide is NC(=O)CCNc1nc(Nc2ccc(N3CCCC3)nc2)ncc1C1CC1.
What is the InChIKey of 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
The InChIKey is VBUCKWZKQWJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c20-16(27)7-8-21-18-15(13-3-4-13)12-23-19(25-18)24-14-5-6-17(22-11-14)26-9-1-2-10-26/h5-6,11-13H,1-4,7-10H2,(H2,20,27)(H2,21,23,24,25).
What are the key properties of 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide has a molecular weight of 367.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68624018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).