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

C15H22N8 — CID 118387889

IUPACN-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine
SMILESc1nc(NCC[C@H]2C[C@@H]2C2CCNCC2)ncc1-n1cnnn1
InChIInChI=1S/C15H22N8/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)/t12-,14+/m0/s1
InChIKeyYMVDTQUBYRFSOR-GXTWGEPZSA-N
MW314.40 g/mol
LogP0.89
Rot. Bonds6

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

N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine (PubChem CID 118387889) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine
PubChem CID118387889
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC NameN-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine
SMILESc1nc(NCC[C@H]2C[C@@H]2C2CCNCC2)ncc1-n1cnnn1
InChIInChI=1S/C15H22N8/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)/t12-,14+/m0/s1
InChIKeyYMVDTQUBYRFSOR-GXTWGEPZSA-N
XLogP0.89
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine (CID 118387889) is N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine is c1nc(NCC[C@H]2C[C@@H]2C2CCNCC2)ncc1-n1cnnn1.
What is the InChIKey of N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine?
The InChIKey is YMVDTQUBYRFSOR-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N8/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)/t12-,14+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine?
N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine has a molecular weight of 314.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-piperidin-4-ylcyclopropyl]ethyl]-5-(tetrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 118387889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).