6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine

C12H22N4O — CID 80933516

IUPAC6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)COC)nc(CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-15-11(13-6-2)7-12(16-10)14-9(3)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyQZBMDDIZLYRSEL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds7

About 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80933516) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80933516
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)COC)nc(CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-15-11(13-6-2)7-12(16-10)14-9(3)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyQZBMDDIZLYRSEL-UHFFFAOYSA-N
XLogP1.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine (CID 80933516) is 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)COC)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is QZBMDDIZLYRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-15-11(13-6-2)7-12(16-10)14-9(3)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).