4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

C12H20N6O — CID 154815500

IUPAC4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCN(C3COC3)CC2)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyLBGCEAAVIBBBPG-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.38
Rot. Bonds3

About 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 154815500) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID154815500
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCN(C3COC3)CC2)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyLBGCEAAVIBBBPG-UHFFFAOYSA-N
XLogP-0.38
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 154815500) is 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine is CNc1cc(N2CCN(C3COC3)CC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is LBGCEAAVIBBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine?
4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 154815500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).