5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C10H14ClN3O — CID 75511399

IUPAC5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOC1)c1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOYKZBUOZAYBEHE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.60
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 75511399) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID75511399
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOC1)c1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOYKZBUOZAYBEHE-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
5-chloro-2-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80909109
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
6-chloro-N-methyl-5-nitro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 63706397
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 75511399) is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCOC1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OYKZBUOZAYBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 75511399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).