N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C10H16N4O2S — CID 62150077

IUPACN-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CC2)cn1
InChIInChI=1S/C10H16N4O2S/c1-2-11-10-12-6-9(7-13-10)17(15,16)14-5-8-3-4-8/h6-8,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyMQKRMRDBQGUFGH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.60
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62150077) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62150077
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CC2)cn1
InChIInChI=1S/C10H16N4O2S/c1-2-11-10-12-6-9(7-13-10)17(15,16)14-5-8-3-4-8/h6-8,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyMQKRMRDBQGUFGH-UHFFFAOYSA-N
XLogP0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145464
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244295
2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244262
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide
CID 22254021
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62150077) is N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is MQKRMRDBQGUFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-11-10-12-6-9(7-13-10)17(15,16)14-5-8-3-4-8/h6-8,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62150077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).