4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

C12H23N5O2 — CID 19154117

IUPAC4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(NC(C)COC)c1N
InChIInChI=1S/C12H23N5O2/c1-8(5-18-3)16-11-10(13)12(15-7-14-11)17-9(2)6-19-4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAKPUPGQPDDQPDH-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.95
Rot. Bonds8

About 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19154117) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19154117
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(NC(C)COC)c1N
InChIInChI=1S/C12H23N5O2/c1-8(5-18-3)16-11-10(13)12(15-7-14-11)17-9(2)6-19-4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAKPUPGQPDDQPDH-UHFFFAOYSA-N
XLogP0.95
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (CID 19154117) is 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is COCC(C)Nc1ncnc(NC(C)COC)c1N.
What is the InChIKey of 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is AKPUPGQPDDQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-8(5-18-3)16-11-10(13)12(15-7-14-11)17-9(2)6-19-4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 269.35 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19154117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).