3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol

C9H16N4O — CID 64540641

IUPAC3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCc1cnc(NCC(N)C(C)O)nc1
InChIInChI=1S/C9H16N4O/c1-6-3-11-9(12-4-6)13-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,12,13)
InChIKeySFMGIGYYWXIJDR-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.09
Rot. Bonds4

About 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol

3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol (PubChem CID 64540641) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol
PubChem CID64540641
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCc1cnc(NCC(N)C(C)O)nc1
InChIInChI=1S/C9H16N4O/c1-6-3-11-9(12-4-6)13-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,12,13)
InChIKeySFMGIGYYWXIJDR-UHFFFAOYSA-N
XLogP-0.09
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 106287064
4-methyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 107159425
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150
3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
CID 106550190
N-(2-ethoxypropyl)-5-methylpyrimidin-2-amine
CID 115774164
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 112634963
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine
CID 133403569
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
3-ethyl-1-N-(5-fluoropyrimidin-2-yl)pentane-1,2-diamine
CID 106287311

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol (CID 64540641) is 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol is Cc1cnc(NCC(N)C(C)O)nc1.
What is the InChIKey of 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is SFMGIGYYWXIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-3-11-9(12-4-6)13-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol?
3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 196.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 64540641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).