6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine

C14H18ClN3O — CID 63729253

IUPAC6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)o1
InChIInChI=1S/C14H18ClN3O/c1-9(2)12-13(15)16-8-17-14(12)18(4)7-11-6-5-10(3)19-11/h5-6,8-9H,7H2,1-4H3
InChIKeyBKRIEGBZKBTZLT-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.79
Rot. Bonds4

About 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63729253) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID63729253
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)o1
InChIInChI=1S/C14H18ClN3O/c1-9(2)12-13(15)16-8-17-14(12)18(4)7-11-6-5-10(3)19-11/h5-6,8-9H,7H2,1-4H3
InChIKeyBKRIEGBZKBTZLT-UHFFFAOYSA-N
XLogP3.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101850
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80633813
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728796
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279942
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 78936162
6-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80773773
4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (CID 63729253) is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is Cc1ccc(CN(C)c2ncnc(Cl)c2C(C)C)o1.
What is the InChIKey of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BKRIEGBZKBTZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)12-13(15)16-8-17-14(12)18(4)7-11-6-5-10(3)19-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63729253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).