3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol

C16H30N4O — CID 80840015

IUPAC3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCCNc1ncnc(NCC(CC)CCO)c1CCC
InChIInChI=1S/C16H30N4O/c1-4-7-14-15(17-9-5-2)19-12-20-16(14)18-11-13(6-3)8-10-21/h12-13,21H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyUXDNBYUGILBCDV-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.07
Rot. Bonds11

About 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol

3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 80840015) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID80840015
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCCNc1ncnc(NCC(CC)CCO)c1CCC
InChIInChI=1S/C16H30N4O/c1-4-7-14-15(17-9-5-2)19-12-20-16(14)18-11-13(6-3)8-10-21/h12-13,21H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyUXDNBYUGILBCDV-UHFFFAOYSA-N
XLogP3.07
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 80840015) is 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCCNc1ncnc(NCC(CC)CCO)c1CCC.
What is the InChIKey of 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is UXDNBYUGILBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-7-14-15(17-9-5-2)19-12-20-16(14)18-11-13(6-3)8-10-21/h12-13,21H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).