2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine

C9H13Cl2N3O — CID 130569788

IUPAC2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)(C)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-9(2,5-15-3)14-7-4-6(10)12-8(11)13-7/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyHQDDDYJAPZEYDD-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.62
Rot. Bonds4

About 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine

2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine (PubChem CID 130569788) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
PubChem CID130569788
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)(C)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-9(2,5-15-3)14-7-4-6(10)12-8(11)13-7/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyHQDDDYJAPZEYDD-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 130570519
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
CID 131244442
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine (CID 130569788) is 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine is COCC(C)(C)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is HQDDDYJAPZEYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-9(2,5-15-3)14-7-4-6(10)12-8(11)13-7/h4H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 250.13 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 130569788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).