1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol

C19H35N5O — CID 71860590

IUPAC1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1nc(N(C)CC(O)CN2CCN(C)CC2)nc(C)c1CC(C)C
InChIInChI=1S/C19H35N5O/c1-14(2)11-18-15(3)20-19(21-16(18)4)23(6)12-17(25)13-24-9-7-22(5)8-10-24/h14,17,25H,7-13H2,1-6H3
InChIKeyGGPIELLBYUSSMP-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.34
Rot. Bonds7

About 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol

1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 71860590) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID71860590
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1nc(N(C)CC(O)CN2CCN(C)CC2)nc(C)c1CC(C)C
InChIInChI=1S/C19H35N5O/c1-14(2)11-18-15(3)20-19(21-16(18)4)23(6)12-17(25)13-24-9-7-22(5)8-10-24/h14,17,25H,7-13H2,1-6H3
InChIKeyGGPIELLBYUSSMP-UHFFFAOYSA-N
XLogP1.34
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 71860590) is 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol is Cc1nc(N(C)CC(O)CN2CCN(C)CC2)nc(C)c1CC(C)C.
What is the InChIKey of 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is GGPIELLBYUSSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-14(2)11-18-15(3)20-19(21-16(18)4)23(6)12-17(25)13-24-9-7-22(5)8-10-24/h14,17,25H,7-13H2,1-6H3.
What are the key properties of 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 349.52 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 71860590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).