2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine

C12H18ClN3O — CID 82460809

IUPAC2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-2-4-9-7-11(16-12(13)15-9)14-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyZHPRYOSUXYAPKX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine

2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 82460809) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID82460809
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2CCCO2)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-2-4-9-7-11(16-12(13)15-9)14-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyZHPRYOSUXYAPKX-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 159289441
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine (CID 82460809) is 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC2CCCO2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is ZHPRYOSUXYAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-4-9-7-11(16-12(13)15-9)14-8-10-5-3-6-17-10/h7,10H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82460809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).