N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine

C13H16N6 — CID 175699091

IUPACN-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnc(N[C@H]3CCCNC3)n2)cnn1
InChIInChI=1S/C13H16N6/c1-2-11(9-14-5-1)18-13-15-6-4-12(19-13)10-3-7-16-17-8-10/h3-4,6-8,11,14H,1-2,5,9H2,(H,15,18,19)/t11-/m0/s1
InChIKeyQDAYLUGBOVHAKN-NSHDSACASA-N
MW256.31 g/mol
LogP1.10
Rot. Bonds3

About N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine

N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine (PubChem CID 175699091) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
PubChem CID175699091
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnc(N[C@H]3CCCNC3)n2)cnn1
InChIInChI=1S/C13H16N6/c1-2-11(9-14-5-1)18-13-15-6-4-12(19-13)10-3-7-16-17-8-10/h3-4,6-8,11,14H,1-2,5,9H2,(H,15,18,19)/t11-/m0/s1
InChIKeyQDAYLUGBOVHAKN-NSHDSACASA-N
XLogP1.10
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 153314143
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
CID 167450026
4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167814770
[3-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 176741120
4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 167895318
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine (CID 175699091) is N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine is c1cc(-c2ccnc(N[C@H]3CCCNC3)n2)cnn1.
What is the InChIKey of N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine?
The InChIKey is QDAYLUGBOVHAKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6/c1-2-11(9-14-5-1)18-13-15-6-4-12(19-13)10-3-7-16-17-8-10/h3-4,6-8,11,14H,1-2,5,9H2,(H,15,18,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine?
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 175699091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).