5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol

C14H26N4O — CID 107207586

IUPAC5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1N(C)CCCCCO
InChIInChI=1S/C14H26N4O/c1-10(2)13-16-12(15)11(3)14(17-13)18(4)8-6-5-7-9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyMJTXJFFMJGFAJE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.09
Rot. Bonds7

About 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol

5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107207586) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
PubChem CID107207586
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1N(C)CCCCCO
InChIInChI=1S/C14H26N4O/c1-10(2)13-16-12(15)11(3)14(17-13)18(4)8-6-5-7-9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyMJTXJFFMJGFAJE-UHFFFAOYSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol (CID 107207586) is 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is Cc1c(N)nc(C(C)C)nc1N(C)CCCCCO.
What is the InChIKey of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is MJTXJFFMJGFAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)13-16-12(15)11(3)14(17-13)18(4)8-6-5-7-9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol?
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).