4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine

C14H20Cl2N6 — CID 160726678

IUPAC4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine
SMILESCC(C)c1ncnc(C(C)C)c1N.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C10H17N3.C4H3Cl2N3/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3/h5-7H,11H2,1-4H3;1H,7H2
InChIKeyRTUMEDQFAUDPBF-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.67
Rot. Bonds2

About 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine

4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine (PubChem CID 160726678) has the molecular formula C14H20Cl2N6 and a molecular weight of 343.26 g/mol. Its IUPAC name is 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine
PubChem CID160726678
Molecular FormulaC14H20Cl2N6
Molecular Weight343.26 g/mol
Exact Mass342.11
IUPAC Name4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine
SMILESCC(C)c1ncnc(C(C)C)c1N.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C10H17N3.C4H3Cl2N3/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3/h5-7H,11H2,1-4H3;1H,7H2
InChIKeyRTUMEDQFAUDPBF-UHFFFAOYSA-N
XLogP3.67
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine?
The IUPAC name of 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine (CID 160726678) is 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine?
The canonical SMILES for 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine is CC(C)c1ncnc(C(C)C)c1N.Nc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine?
The InChIKey is RTUMEDQFAUDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C4H3Cl2N3/c1-6(2)9-8(11)10(7(3)4)13-5-12-9;5-3-2(7)4(6)9-1-8-3/h5-7H,11H2,1-4H3;1H,7H2.
What are the key properties of 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine?
4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine has a molecular weight of 343.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyrimidin-5-amine;4,6-di(propan-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 160726678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).