2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

C16H29N3O — CID 133367691

IUPAC2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-11(10-20-8)17-13-9-12(15(2,3)4)18-14(19-13)16(5,6)7/h9,11H,10H2,1-8H3,(H,17,18,19)
InChIKeyPKQQQRLFBPIWPZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.52
Rot. Bonds4

About 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 133367691) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID133367691
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-11(10-20-8)17-13-9-12(15(2,3)4)18-14(19-13)16(5,6)7/h9,11H,10H2,1-8H3,(H,17,18,19)
InChIKeyPKQQQRLFBPIWPZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-[(2,6-ditert-butylpyrimidin-4-yl)amino]butan-1-ol
CID 133367652
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
CID 116503109
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
N-[2-[(2,6-ditert-butylpyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
CID 133382599
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 133367691) is 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is COCC(C)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is PKQQQRLFBPIWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(10-20-8)17-13-9-12(15(2,3)4)18-14(19-13)16(5,6)7/h9,11H,10H2,1-8H3,(H,17,18,19).
What are the key properties of 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 133367691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).