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

C10H19ClN4S — CID 54598821

IUPAC4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride
SMILESCCN(CC)CCSc1ccnc(N)n1.Cl
InChIInChI=1S/C10H18N4S.ClH/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13);1H
InChIKeyVACZLURQGRIPHF-UHFFFAOYSA-N
MW262.81 g/mol
LogP1.91
Rot. Bonds6

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

4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride (PubChem CID 54598821) has the molecular formula C10H19ClN4S and a molecular weight of 262.81 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride
PubChem CID54598821
Molecular FormulaC10H19ClN4S
Molecular Weight262.81 g/mol
Exact Mass262.10
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride
SMILESCCN(CC)CCSc1ccnc(N)n1.Cl
InChIInChI=1S/C10H18N4S.ClH/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13);1H
InChIKeyVACZLURQGRIPHF-UHFFFAOYSA-N
XLogP1.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 599004
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CID 5324771
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CID 45080484
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CID 56778
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CID 44630566
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CID 308588
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CID 24321009
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride (CID 54598821) is 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride is CCN(CC)CCSc1ccnc(N)n1.Cl.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is VACZLURQGRIPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S.ClH/c1-3-14(4-2)7-8-15-9-5-6-12-10(11)13-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride?
4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 54598821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).