2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine

C19H20N6 — CID 99930503

IUPAC2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
SMILESc1ccc(-c2ncc(CN3CCC[C@H](c4ccncn4)C3)cn2)nc1
InChIInChI=1S/C19H20N6/c1-2-7-21-18(5-1)19-22-10-15(11-23-19)12-25-9-3-4-16(13-25)17-6-8-20-14-24-17/h1-2,5-8,10-11,14,16H,3-4,9,12-13H2/t16-/m0/s1
InChIKeyRXNGNGYLKRLCJH-INIZCTEOSA-N
MW332.41 g/mol
LogP2.71
Rot. Bonds4

About 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine

2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine (PubChem CID 99930503) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
PubChem CID99930503
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
SMILESc1ccc(-c2ncc(CN3CCC[C@H](c4ccncn4)C3)cn2)nc1
InChIInChI=1S/C19H20N6/c1-2-7-21-18(5-1)19-22-10-15(11-23-19)12-25-9-3-4-16(13-25)17-6-8-20-14-24-17/h1-2,5-8,10-11,14,16H,3-4,9,12-13H2/t16-/m0/s1
InChIKeyRXNGNGYLKRLCJH-INIZCTEOSA-N
XLogP2.71
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99950359
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine (CID 99930503) is 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine is c1ccc(-c2ncc(CN3CCC[C@H](c4ccncn4)C3)cn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The InChIKey is RXNGNGYLKRLCJH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-7-21-18(5-1)19-22-10-15(11-23-19)12-25-9-3-4-16(13-25)17-6-8-20-14-24-17/h1-2,5-8,10-11,14,16H,3-4,9,12-13H2/t16-/m0/s1.
What are the key properties of 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine has a molecular weight of 332.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 99930503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).