6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C13H20ClN3O2 — CID 80970999

IUPAC6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC1COCCO1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-16-11(14)9(3)13(17-12)15-6-10-7-18-4-5-19-10/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDKLULQKVTVEZRV-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.39
Rot. Bonds4

About 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80970999) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80970999
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC1COCCO1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-16-11(14)9(3)13(17-12)15-6-10-7-18-4-5-19-10/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDKLULQKVTVEZRV-UHFFFAOYSA-N
XLogP2.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696
6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 82728998
3,5-dichloro-N-(1,4-dioxan-2-ylmethyl)-6-hydrazinylpyridin-2-amine
CID 102761703
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 113491272
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80970999) is 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCC1COCCO1.
What is the InChIKey of 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DKLULQKVTVEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)12-16-11(14)9(3)13(17-12)15-6-10-7-18-4-5-19-10/h8,10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80970999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).