4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

C13H26N6 — CID 151564888

IUPAC4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@H]1CCN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-12(2,3)13(15)7-10(17-11(14)18-13)19-6-5-9(8-19)16-4/h7,9,16H,5-6,8,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m0/s1
InChIKeyQDFMCFTTYMHXRS-LLTODGECSA-N
MW266.39 g/mol
LogP-0.26
Rot. Bonds2

About 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 151564888) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID151564888
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@H]1CCN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-12(2,3)13(15)7-10(17-11(14)18-13)19-6-5-9(8-19)16-4/h7,9,16H,5-6,8,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m0/s1
InChIKeyQDFMCFTTYMHXRS-LLTODGECSA-N
XLogP-0.26
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine
CID 118973367
4-methyl-N-pyrrolidin-3-yl-1,4-dihydropyrimidin-6-amine
CID 118973455
4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492542
4-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492545
4-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492554
4-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492568
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 150124058
4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150204745
4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150272786
4-(3,3-dimethylbutyl)-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150499676
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150863150
4-(3,3-dimethylbutyl)-6-N-pyrrolidin-3-yl-1H-pyrimidine-2,4,6-triamine
CID 150885829

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 151564888) is 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@H]1CCN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is QDFMCFTTYMHXRS-LLTODGECSA-N. The full InChI is InChI=1S/C13H26N6/c1-12(2,3)13(15)7-10(17-11(14)18-13)19-6-5-9(8-19)16-4/h7,9,16H,5-6,8,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m0/s1.
What are the key properties of 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of -0.26, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151564888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).