3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol

C10H17N3O — CID 65034190

IUPAC3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCc1ccnc(NCC(C)CO)c1N
InChIInChI=1S/C10H17N3O/c1-7(6-14)5-13-10-9(11)8(2)3-4-12-10/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyLDTXETQIDMWFGZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.01
Rot. Bonds4

About 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol

3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol (PubChem CID 65034190) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
PubChem CID65034190
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCc1ccnc(NCC(C)CO)c1N
InChIInChI=1S/C10H17N3O/c1-7(6-14)5-13-10-9(11)8(2)3-4-12-10/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyLDTXETQIDMWFGZ-UHFFFAOYSA-N
XLogP1.01
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol (CID 65034190) is 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol is Cc1ccnc(NCC(C)CO)c1N.
What is the InChIKey of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol?
The InChIKey is LDTXETQIDMWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(6-14)5-13-10-9(11)8(2)3-4-12-10/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol?
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 65034190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).