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

C22H30N8O — CID 68624294

IUPAC3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCN(C4CC4)CC3)nc2)ncc1C1CC1
InChIInChI=1S/C22H30N8O/c23-19(31)7-8-24-21-18(15-1-2-15)14-26-22(28-21)27-16-3-6-20(25-13-16)30-11-9-29(10-12-30)17-4-5-17/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,23,31)(H2,24,26,27,28)
InChIKeyIZVIBBWRCCGDOQ-UHFFFAOYSA-N
MW422.54 g/mol
LogP2.06
Rot. Bonds9

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

3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide (PubChem CID 68624294) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide
PubChem CID68624294
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC Name3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(N3CCN(C4CC4)CC3)nc2)ncc1C1CC1
InChIInChI=1S/C22H30N8O/c23-19(31)7-8-24-21-18(15-1-2-15)14-26-22(28-21)27-16-3-6-20(25-13-16)30-11-9-29(10-12-30)17-4-5-17/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,23,31)(H2,24,26,27,28)
InChIKeyIZVIBBWRCCGDOQ-UHFFFAOYSA-N
XLogP2.06
TPSA112.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide (CID 68624294) is 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide is NC(=O)CCNc1nc(Nc2ccc(N3CCN(C4CC4)CC3)nc2)ncc1C1CC1.
What is the InChIKey of 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide?
The InChIKey is IZVIBBWRCCGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O/c23-19(31)7-8-24-21-18(15-1-2-15)14-26-22(28-21)27-16-3-6-20(25-13-16)30-11-9-29(10-12-30)17-4-5-17/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,23,31)(H2,24,26,27,28).
What are the key properties of 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide has a molecular weight of 422.54 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68624294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).