2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine

C10H18N4S — CID 116798299

IUPAC2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
SMILESCCN(CC)CCSc1nccc(N)n1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)
InChIKeyDUVQQEXBADXJQZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine

2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 116798299) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
PubChem CID116798299
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine
SMILESCCN(CC)CCSc1nccc(N)n1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13)
InChIKeyDUVQQEXBADXJQZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propylsulfanylpyrimidin-4-amine
CID 565451
N,N-diethyl-2-(5-iodopyrimidin-2-yl)sulfanylethanamine
CID 104843975
4-chloro-6-[2-(diethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
CID 80891534
2-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765019
6-[2-(diethylamino)ethylsulfanyl]pyridin-3-amine
CID 43301503
2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine
CID 81138010
N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
CID 162717927
4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
CID 80890818
2-[2-(diethylamino)ethylsulfanyl]-1,3-benzoxazol-4-amine
CID 79881433
2-[2-(diethylamino)ethylsulfanyl]-4-methylpyrimidine-5-carboxylic acid
CID 83184002
N,N-diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylsulfanyl)ethanamine
CID 15399128
3-[2-(diethylamino)ethylsulfanyl]-1-methylpyrazol-4-amine
CID 103079611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine (CID 116798299) is 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine is CCN(CC)CCSc1nccc(N)n1.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is DUVQQEXBADXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14(4-2)7-8-15-10-12-6-5-9(11)13-10/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine?
2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 226.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 116798299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).