5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine

C11H18ClN5 — CID 81470286

IUPAC5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2Cl)CC1N(C)C
InChIInChI=1S/C11H18ClN5/c1-7-5-17(6-9(7)16(2)3)10-8(12)4-14-11(13)15-10/h4,7,9H,5-6H2,1-3H3,(H2,13,14,15)
InChIKeyQOKVTDFNYWTHET-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.10
Rot. Bonds2

About 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine

5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 81470286) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID81470286
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2Cl)CC1N(C)C
InChIInChI=1S/C11H18ClN5/c1-7-5-17(6-9(7)16(2)3)10-8(12)4-14-11(13)15-10/h4,7,9H,5-6H2,1-3H3,(H2,13,14,15)
InChIKeyQOKVTDFNYWTHET-UHFFFAOYSA-N
XLogP1.10
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474455
4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 81470010
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
4-(3,4-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80848953
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-methylpyrazol-4-amine
CID 103078747
5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009882
N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 133404241
1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474899
1-[3-chloro-5-(propylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465095
5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80828314
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine (CID 81470286) is 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine is CC1CN(c2nc(N)ncc2Cl)CC1N(C)C.
What is the InChIKey of 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is QOKVTDFNYWTHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-7-5-17(6-9(7)16(2)3)10-8(12)4-14-11(13)15-10/h4,7,9H,5-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine?
5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 81470286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).