4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol

C13H24N4O — CID 113499719

IUPAC4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3
InChIKeyPRHKPTPSUMZAJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds7

About 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol

4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol (PubChem CID 113499719) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
PubChem CID113499719
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3
InChIKeyPRHKPTPSUMZAJE-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol with MolForge

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Related Compounds

N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 113388114
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanoic acid
CID 116977768
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
CID 104695546
4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 102769067

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol (CID 113499719) is 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol is CC(O)CCN(C)c1ncc(CNC(C)C)cn1.
What is the InChIKey of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The InChIKey is PRHKPTPSUMZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3.
What are the key properties of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 113499719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).