1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol

C14H26N4O — CID 22313245

IUPAC1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCCc1c(C)nc(N)nc1NCC(O)CCC
InChIInChI=1S/C14H26N4O/c1-4-6-8-12-10(3)17-14(15)18-13(12)16-9-11(19)7-5-2/h11,19H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyZDJXTZMWRPBODK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.28
Rot. Bonds8

About 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol

1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 22313245) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID22313245
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCCc1c(C)nc(N)nc1NCC(O)CCC
InChIInChI=1S/C14H26N4O/c1-4-6-8-12-10(3)17-14(15)18-13(12)16-9-11(19)7-5-2/h11,19H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyZDJXTZMWRPBODK-UHFFFAOYSA-N
XLogP2.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 22313245) is 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol is CCCCc1c(C)nc(N)nc1NCC(O)CCC.
What is the InChIKey of 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is ZDJXTZMWRPBODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-8-12-10(3)17-14(15)18-13(12)16-9-11(19)7-5-2/h11,19H,4-9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol?
1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-butyl-6-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 22313245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).