N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine

C22H25N5O2S — CID 126890465

IUPACN-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)ncn1
InChIInChI=1S/C22H25N5O2S/c1-16-14-21(25-15-24-16)27(18-7-8-18)19-9-12-26(13-10-19)30(28,29)20-6-2-4-17-5-3-11-23-22(17)20/h2-6,11,14-15,18-19H,7-10,12-13H2,1H3
InChIKeyYFXDNZWUGJWNTG-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.16
Rot. Bonds5

About N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine

N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 126890465) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID126890465
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)ncn1
InChIInChI=1S/C22H25N5O2S/c1-16-14-21(25-15-24-16)27(18-7-8-18)19-9-12-26(13-10-19)30(28,29)20-6-2-4-17-5-3-11-23-22(17)20/h2-6,11,14-15,18-19H,7-10,12-13H2,1H3
InChIKeyYFXDNZWUGJWNTG-UHFFFAOYSA-N
XLogP3.16
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]quinoline
CID 126858187
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine (CID 126890465) is N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is YFXDNZWUGJWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-16-14-21(25-15-24-16)27(18-7-8-18)19-9-12-26(13-10-19)30(28,29)20-6-2-4-17-5-3-11-23-22(17)20/h2-6,11,14-15,18-19H,7-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 423.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 126890465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).