5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine

C18H29ClN4O2 — CID 71863713

IUPAC5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CCCCO1)c1ncc(Cl)c(N(C)CC2CCCCO2)n1
InChIInChI=1S/C18H29ClN4O2/c1-22(12-14-7-3-5-9-24-14)17-16(19)11-20-18(21-17)23(2)13-15-8-4-6-10-25-15/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyVZJHTDBBRSLDTI-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine

5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71863713) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71863713
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CCCCO1)c1ncc(Cl)c(N(C)CC2CCCCO2)n1
InChIInChI=1S/C18H29ClN4O2/c1-22(12-14-7-3-5-9-24-14)17-16(19)11-20-18(21-17)23(2)13-15-8-4-6-10-25-15/h11,14-15H,3-10,12-13H2,1-2H3
InChIKeyVZJHTDBBRSLDTI-UHFFFAOYSA-N
XLogP3.14
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.14
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-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine (CID 71863713) is 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine is CN(CC1CCCCO1)c1ncc(Cl)c(N(C)CC2CCCCO2)n1.
What is the InChIKey of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VZJHTDBBRSLDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O2/c1-22(12-14-7-3-5-9-24-14)17-16(19)11-20-18(21-17)23(2)13-15-8-4-6-10-25-15/h11,14-15H,3-10,12-13H2,1-2H3.
What are the key properties of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 368.91 g/mol, XLogP of 3.14, 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-dimethyl-2-N,4-N-bis(oxan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).