6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine

C12H23N5O — CID 80840157

IUPAC6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(COC)C(C)C)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-5-14-10-6-11(17-12(13)16-10)15-9(7-18-4)8(2)3/h6,8-9H,5,7H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyWAYVPNBHNLYICO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.57
Rot. Bonds7

About 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine (PubChem CID 80840157) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
PubChem CID80840157
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(COC)C(C)C)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-5-14-10-6-11(17-12(13)16-10)15-9(7-18-4)8(2)3/h6,8-9H,5,7H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyWAYVPNBHNLYICO-UHFFFAOYSA-N
XLogP1.57
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine (CID 80840157) is 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine is CCNc1cc(NC(COC)C(C)C)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The InChIKey is WAYVPNBHNLYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-14-10-6-11(17-12(13)16-10)15-9(7-18-4)8(2)3/h6,8-9H,5,7H2,1-4H3,(H4,13,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine has a molecular weight of 253.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80840157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).