3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid

C15H22N4O2 — CID 90488010

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(21)4-1-11-5-7-19(8-6-11)14-9-13(16-10-17-14)18-12-2-3-12/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyZUBLSMCPTLSOAW-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.13
Rot. Bonds6

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (PubChem CID 90488010) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
PubChem CID90488010
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(21)4-1-11-5-7-19(8-6-11)14-9-13(16-10-17-14)18-12-2-3-12/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyZUBLSMCPTLSOAW-UHFFFAOYSA-N
XLogP2.13
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188682
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-(cyclopropylmethyl)propanamide
CID 53188650
N-butyl-3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methylpropanamide
CID 53188789
3-{1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanoic acid
CID 90488011
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}propanoic acid
CID 90488012
N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174270
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide
CID 53174449
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
CID 53174451
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide
CID 53174471
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl}-N,N-diethylpropanamide
CID 53174530
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide
CID 53188498

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (CID 90488010) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The InChIKey is ZUBLSMCPTLSOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(21)4-1-11-5-7-19(8-6-11)14-9-13(16-10-17-14)18-12-2-3-12/h9-12H,1-8H2,(H,20,21)(H,16,17,18).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid has a molecular weight of 290.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 90488010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).