4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

C15H26N6O — CID 21101354

IUPAC4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCNc1nc(N2CCN(CC3CCCO3)CC2)nc(N)c1C
InChIInChI=1S/C15H26N6O/c1-11-13(16)18-15(19-14(11)17-2)21-7-5-20(6-8-21)10-12-4-3-9-22-12/h12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyIEUITIPQPKDROZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.71
Rot. Bonds4

About 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine (PubChem CID 21101354) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
PubChem CID21101354
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
SMILESCNc1nc(N2CCN(CC3CCCO3)CC2)nc(N)c1C
InChIInChI=1S/C15H26N6O/c1-11-13(16)18-15(19-14(11)17-2)21-7-5-20(6-8-21)10-12-4-3-9-22-12/h12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyIEUITIPQPKDROZ-UHFFFAOYSA-N
XLogP0.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine (CID 21101354) is 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine is CNc1nc(N2CCN(CC3CCCO3)CC2)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
The InChIKey is IEUITIPQPKDROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-11-13(16)18-15(19-14(11)17-2)21-7-5-20(6-8-21)10-12-4-3-9-22-12/h12H,3-10H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine?
4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 21101354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).