5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C16H25ClN4O2 — CID 136582043

IUPAC5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOC1CC(N(C)c2ncc(Cl)c(N(C)C3CC(OC)C3)n2)C1
InChIInChI=1S/C16H25ClN4O2/c1-20(10-5-12(6-10)22-3)15-14(17)9-18-16(19-15)21(2)11-7-13(8-11)23-4/h9-13H,5-8H2,1-4H3
InChIKeyVJCFWONFNPVQHG-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.36
Rot. Bonds6

About 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 136582043) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID136582043
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOC1CC(N(C)c2ncc(Cl)c(N(C)C3CC(OC)C3)n2)C1
InChIInChI=1S/C16H25ClN4O2/c1-20(10-5-12(6-10)22-3)15-14(17)9-18-16(19-15)21(2)11-7-13(8-11)23-4/h9-13H,5-8H2,1-4H3
InChIKeyVJCFWONFNPVQHG-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 136582043) is 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is COC1CC(N(C)c2ncc(Cl)c(N(C)C3CC(OC)C3)n2)C1.
What is the InChIKey of 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is VJCFWONFNPVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-20(10-5-12(6-10)22-3)15-14(17)9-18-16(19-15)21(2)11-7-13(8-11)23-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 340.86 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-bis(3-methoxycyclobutyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 136582043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).