N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride

C15H23ClN8 — CID 118387875

IUPACN-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride
SMILESCl.c1nc(NCC[C@@H]2C[C@H]2C2CCNCC2)ncc1-n1cnnn1
InChIInChI=1S/C15H22N8.ClH/c1-4-16-5-2-11(1)14-7-12(14)3-6-17-15-18-8-13(9-19-15)23-10-20-21-22-23;/h8-12,14,16H,1-7H2,(H,17,18,19);1H/t12-,14+;/m1./s1
InChIKeyOJRCPPGJBKPMIN-OJMBIDBESA-N
MW350.86 g/mol
LogP1.31
Rot. Bonds6

About N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride

N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 118387875) has the molecular formula C15H23ClN8 and a molecular weight of 350.86 g/mol. Its IUPAC name is N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride
PubChem CID118387875
Molecular FormulaC15H23ClN8
Molecular Weight350.86 g/mol
Exact Mass350.17
IUPAC NameN-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride
SMILESCl.c1nc(NCC[C@@H]2C[C@H]2C2CCNCC2)ncc1-n1cnnn1
InChIInChI=1S/C15H22N8.ClH/c1-4-16-5-2-11(1)14-7-12(14)3-6-17-15-18-8-13(9-19-15)23-10-20-21-22-23;/h8-12,14,16H,1-7H2,(H,17,18,19);1H/t12-,14+;/m1./s1
InChIKeyOJRCPPGJBKPMIN-OJMBIDBESA-N
XLogP1.31
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride (CID 118387875) is N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride is Cl.c1nc(NCC[C@@H]2C[C@H]2C2CCNCC2)ncc1-n1cnnn1.
What is the InChIKey of N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride?
The InChIKey is OJRCPPGJBKPMIN-OJMBIDBESA-N. The full InChI is InChI=1S/C15H22N8.ClH/c1-4-16-5-2-11(1)14-7-12(14)3-6-17-15-18-8-13(9-19-15)23-10-20-21-22-23;/h8-12,14,16H,1-7H2,(H,17,18,19);1H/t12-,14+;/m1./s1.
What are the key properties of N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride?
N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 118387875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).