5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine

C18H29ClN4O2 — CID 96526341

IUPAC5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C[C@@H]1CCCCO1)c1ncc(Cl)c(N(C)C[C@@H]2CCCCO2)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/t14-,15-/m0/s1
InChIKeyVZJHTDBBRSLDTI-GJZGRUSLSA-N
MW368.91 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine

5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 96526341) 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[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID96526341
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C[C@@H]1CCCCO1)c1ncc(Cl)c(N(C)C[C@@H]2CCCCO2)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/t14-,15-/m0/s1
InChIKeyVZJHTDBBRSLDTI-GJZGRUSLSA-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

Analyze 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
3,5-dichloro-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102761741
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80795547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine (CID 96526341) is 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine is CN(C[C@@H]1CCCCO1)c1ncc(Cl)c(N(C)C[C@@H]2CCCCO2)n1.
What is the InChIKey of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is VZJHTDBBRSLDTI-GJZGRUSLSA-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/t14-,15-/m0/s1.
What are the key properties of 5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]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[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 96526341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).