N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine

C19H23ClN10 — CID 75585879

IUPACN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine
SMILESClc1cnc(N2CCC(C3CC3CCNc3cnc(-n4cnnn4)nc3)CC2)nc1
InChIInChI=1S/C19H23ClN10/c20-15-8-22-18(23-9-15)29-5-2-13(3-6-29)17-7-14(17)1-4-21-16-10-24-19(25-11-16)30-12-26-27-28-30/h8-14,17,21H,1-7H2
InChIKeyOQENZFNADBVQIE-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.25
Rot. Bonds7

About N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine

N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine (PubChem CID 75585879) has the molecular formula C19H23ClN10 and a molecular weight of 426.92 g/mol. Its IUPAC name is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine
PubChem CID75585879
Molecular FormulaC19H23ClN10
Molecular Weight426.92 g/mol
Exact Mass426.18
IUPAC NameN-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine
SMILESClc1cnc(N2CCC(C3CC3CCNc3cnc(-n4cnnn4)nc3)CC2)nc1
InChIInChI=1S/C19H23ClN10/c20-15-8-22-18(23-9-15)29-5-2-13(3-6-29)17-7-14(17)1-4-21-16-10-24-19(25-11-16)30-12-26-27-28-30/h8-14,17,21H,1-7H2
InChIKeyOQENZFNADBVQIE-UHFFFAOYSA-N
XLogP2.25
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine?
The IUPAC name of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine (CID 75585879) is N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine?
The canonical SMILES for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine is Clc1cnc(N2CCC(C3CC3CCNc3cnc(-n4cnnn4)nc3)CC2)nc1.
What is the InChIKey of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine?
The InChIKey is OQENZFNADBVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN10/c20-15-8-22-18(23-9-15)29-5-2-13(3-6-29)17-7-14(17)1-4-21-16-10-24-19(25-11-16)30-12-26-27-28-30/h8-14,17,21H,1-7H2.
What are the key properties of N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine?
N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine has a molecular weight of 426.92 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-2-(tetrazol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 75585879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).