6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine

C14H22ClN3O — CID 83028527

IUPAC6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22ClN3O/c1-4-5-11-12(15)16-9-17-13(11)18-10-6-7-19-14(2,3)8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyBPPFXSRQFDWXBE-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.45
Rot. Bonds4

About 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine

6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine (PubChem CID 83028527) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
PubChem CID83028527
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22ClN3O/c1-4-5-11-12(15)16-9-17-13(11)18-10-6-7-19-14(2,3)8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyBPPFXSRQFDWXBE-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 83039257
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
CID 83029129
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine (CID 83028527) is 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC1CCOC(C)(C)C1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine?
The InChIKey is BPPFXSRQFDWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-5-11-12(15)16-9-17-13(11)18-10-6-7-19-14(2,3)8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 83028527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).