N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C16H22N6 — CID 126887356

IUPACN-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3n[nH]c4c3CCC4)CC2)ncn1
InChIInChI=1S/C16H22N6/c1-2-13-14(3-1)20-21-15(13)10-22-8-5-12(6-9-22)19-16-4-7-17-11-18-16/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21)(H,17,18,19)
InChIKeyOUHDOXLMDDNHLX-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887356) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887356
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3n[nH]c4c3CCC4)CC2)ncn1
InChIInChI=1S/C16H22N6/c1-2-13-14(3-1)20-21-15(13)10-22-8-5-12(6-9-22)19-16-4-7-17-11-18-16/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21)(H,17,18,19)
InChIKeyOUHDOXLMDDNHLX-UHFFFAOYSA-N
XLogP1.76
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887356) is N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(Cc3n[nH]c4c3CCC4)CC2)ncn1.
What is the InChIKey of N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is OUHDOXLMDDNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-13-14(3-1)20-21-15(13)10-22-8-5-12(6-9-22)19-16-4-7-17-11-18-16/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21)(H,17,18,19).
What are the key properties of N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).