2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol

C14H25ClN4O — CID 106258279

IUPAC2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCCNc1ncc(Cl)c(NCC(CC)(CC)CO)n1
InChIInChI=1S/C14H25ClN4O/c1-4-7-16-13-17-8-11(15)12(19-13)18-9-14(5-2,6-3)10-20/h8,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBIKGRVNBQCCENX-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.16
Rot. Bonds9

About 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol

2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106258279) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
PubChem CID106258279
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCCNc1ncc(Cl)c(NCC(CC)(CC)CO)n1
InChIInChI=1S/C14H25ClN4O/c1-4-7-16-13-17-8-11(15)12(19-13)18-9-14(5-2,6-3)10-20/h8,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBIKGRVNBQCCENX-UHFFFAOYSA-N
XLogP3.16
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149910
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
5-chloro-4-N-(2,2-dimethylheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839036
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80777905
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol (CID 106258279) is 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol is CCCNc1ncc(Cl)c(NCC(CC)(CC)CO)n1.
What is the InChIKey of 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is BIKGRVNBQCCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-4-7-16-13-17-8-11(15)12(19-13)18-9-14(5-2,6-3)10-20/h8,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol?
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 300.83 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106258279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).