N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C17H23N7O — CID 112886715

IUPACN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1cnc(N2CCN(c3nccc(NCC4CCCO4)n3)CC2)nc1
InChIInChI=1S/C17H23N7O/c1-3-14(25-12-1)13-21-15-4-7-20-17(22-15)24-10-8-23(9-11-24)16-18-5-2-6-19-16/h2,4-7,14H,1,3,8-13H2,(H,20,21,22)
InChIKeyWDAPRVOERJDVNG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.18
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112886715) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112886715
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1cnc(N2CCN(c3nccc(NCC4CCCO4)n3)CC2)nc1
InChIInChI=1S/C17H23N7O/c1-3-14(25-12-1)13-21-15-4-7-20-17(22-15)24-10-8-23(9-11-24)16-18-5-2-6-19-16/h2,4-7,14H,1,3,8-13H2,(H,20,21,22)
InChIKeyWDAPRVOERJDVNG-UHFFFAOYSA-N
XLogP1.18
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
3-(azepan-1-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112944417
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112886715) is N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1cnc(N2CCN(c3nccc(NCC4CCCO4)n3)CC2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is WDAPRVOERJDVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-14(25-12-1)13-21-15-4-7-20-17(22-15)24-10-8-23(9-11-24)16-18-5-2-6-19-16/h2,4-7,14H,1,3,8-13H2,(H,20,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112886715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).