6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine

C10H14ClN3S — CID 129367917

IUPAC6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)[C@H]2CCSC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-12-9(11)5-10(13-7)14(2)8-3-4-15-6-8/h5,8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyVMCNBPZGMIQWCV-QMMMGPOBSA-N
MW243.76 g/mol
LogP2.38
Rot. Bonds2

About 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine

6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine (PubChem CID 129367917) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine
PubChem CID129367917
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)[C@H]2CCSC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-12-9(11)5-10(13-7)14(2)8-3-4-15-6-8/h5,8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyVMCNBPZGMIQWCV-QMMMGPOBSA-N
XLogP2.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine (CID 129367917) is 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine is Cc1nc(Cl)cc(N(C)[C@H]2CCSC2)n1.
What is the InChIKey of 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine?
The InChIKey is VMCNBPZGMIQWCV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-12-9(11)5-10(13-7)14(2)8-3-4-15-6-8/h5,8H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine?
6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine has a molecular weight of 243.76 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 129367917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).