6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine

C11H16ClN3O — CID 115658056

IUPAC6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)C2CCOC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7(9-3-4-16-6-9)13-11-5-10(12)14-8(2)15-11/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyMGGNLDWBRUAAKU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 115658056) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
PubChem CID115658056
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC(C)C2CCOC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7(9-3-4-16-6-9)13-11-5-10(12)14-8(2)15-11/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyMGGNLDWBRUAAKU-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776198
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115928689
4-chloro-5-[1-(oxolan-3-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114443415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine (CID 115658056) is 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NC(C)C2CCOC2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MGGNLDWBRUAAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(9-3-4-16-6-9)13-11-5-10(12)14-8(2)15-11/h5,7,9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 115658056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).