3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C13H21BrN4O — CID 106137969

IUPAC3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncc(Br)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H21BrN4O/c1-2-5-15-13-17-8-11(14)12(18-13)16-7-9-3-4-10(19)6-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyMTQWZGHUHMSAJH-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.63
Rot. Bonds6

About 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137969) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137969
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncc(Br)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H21BrN4O/c1-2-5-15-13-17-8-11(14)12(18-13)16-7-9-3-4-10(19)6-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyMTQWZGHUHMSAJH-UHFFFAOYSA-N
XLogP2.63
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 134163999
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 166723883
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
5-bromo-4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 81046257
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796894
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106137969) is 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCCNc1ncc(Br)c(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MTQWZGHUHMSAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-2-5-15-13-17-8-11(14)12(18-13)16-7-9-3-4-10(19)6-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 329.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).