6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine

C13H20ClN3O — CID 55228553

IUPAC6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CCCCO1
InChIInChI=1S/C13H20ClN3O/c1-2-5-11-12(14)16-9-17-13(11)15-8-10-6-3-4-7-18-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyGVQPZKPGEQZWQH-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.06
Rot. Bonds5

About 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine

6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine (PubChem CID 55228553) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
PubChem CID55228553
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CCCCO1
InChIInChI=1S/C13H20ClN3O/c1-2-5-11-12(14)16-9-17-13(11)15-8-10-6-3-4-7-18-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyGVQPZKPGEQZWQH-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 66366535
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 81040903
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine (CID 55228553) is 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCC1CCCCO1.
What is the InChIKey of 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The InChIKey is GVQPZKPGEQZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-5-11-12(14)16-9-17-13(11)15-8-10-6-3-4-7-18-10/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 55228553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).